sim/src/tests/heteroatom_organics/P_ADAM_C3v.pdb


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COMPND    P_ADAM_C3v.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  C   UNK     0      -0.816   1.414   0.469  1.00  0.00           C  
ATOM      2  C   UNK     0      -0.816  -1.414   0.469  1.00  0.00           C  
ATOM      3  C   UNK     0       1.632   0.000   0.469  1.00  0.00           C  
ATOM      4  P   UNK     0       0.000   0.000   1.401  1.00  0.00           P  
ATOM      5  C   UNK     0      -0.738   1.279  -1.067  1.00  0.00           C  
ATOM      6  C   UNK     0      -0.738  -1.279  -1.067  1.00  0.00           C  
ATOM      7  C   UNK     0       1.476   0.000  -1.067  1.00  0.00           C  
ATOM      8  C   UNK     0       0.728  -1.261  -1.549  1.00  0.00           C  
ATOM      9  C   UNK     0       0.728   1.261  -1.549  1.00  0.00           C  
ATOM     10  C   UNK     0      -1.456   0.000  -1.549  1.00  0.00           C  
ATOM     11  H   UNK     0      -0.338   2.345   0.799  1.00  0.00           H  
ATOM     12  H   UNK     0      -1.861  -1.465   0.799  1.00  0.00           H  
ATOM     13  H   UNK     0       2.200   0.879   0.799  1.00  0.00           H  
ATOM     14  H   UNK     0      -1.861   1.465   0.799  1.00  0.00           H  
ATOM     15  H   UNK     0      -0.338  -2.345   0.799  1.00  0.00           H  
ATOM     16  H   UNK     0       2.200  -0.879   0.799  1.00  0.00           H  
ATOM     17  H   UNK     0      -1.240   2.148  -1.514  1.00  0.00           H  
ATOM     18  H   UNK     0      -1.240  -2.148  -1.514  1.00  0.00           H  
ATOM     19  H   UNK     0       2.481   0.000  -1.514  1.00  0.00           H  
ATOM     20  H   UNK     0       0.747  -1.293  -2.648  1.00  0.00           H  
ATOM     21  H   UNK     0       0.747   1.293  -2.648  1.00  0.00           H  
ATOM     22  H   UNK     0      -1.494   0.000  -2.648  1.00  0.00           H  
ATOM     23  H   UNK     0       1.249  -2.164  -1.202  1.00  0.00           H  
ATOM     24  H   UNK     0       1.249   2.164  -1.202  1.00  0.00           H  
ATOM     25  H   UNK     0      -2.498   0.000  -1.202  1.00  0.00           H  
CONECT    1    5   14   11    4                                       
CONECT    2    6   15   12    4                                       
CONECT    3    7   16   13    4                                       
CONECT    4    3    2    1                                            
CONECT    5    9   10   17    1                                       
CONECT    6    8   10   18    2                                       
CONECT    7    8    9   19    3                                       
CONECT    8   20   23    6    7                                       
CONECT    9   21   24    5    7                                       
CONECT   10   22   25    5    6                                       
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    3                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END